1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide

C19H28N6O — CID 1444441

IUPAC1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide
SMILESCCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H28N6O/c1-4-19(2,3)25-18(21-22-23-25)16(14-8-6-5-7-9-14)24-12-10-15(11-13-24)17(20)26/h5-9,15-16H,4,10-13H2,1-3H3,(H2,20,26)/t16-/m1/s1
InChIKeyJNNVKHUJSOXLLC-MRXNPFEDSA-N
MW356.47 g/mol
LogP2.10
Rot. Bonds6

About 1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide

1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide (PubChem CID 1444441) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide
PubChem CID1444441
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide
SMILESCCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H28N6O/c1-4-19(2,3)25-18(21-22-23-25)16(14-8-6-5-7-9-14)24-12-10-15(11-13-24)17(20)26/h5-9,15-16H,4,10-13H2,1-3H3,(H2,20,26)/t16-/m1/s1
InChIKeyJNNVKHUJSOXLLC-MRXNPFEDSA-N
XLogP2.10
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide
CID 7391332
1-ethyl-4-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 1444406
1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride
CID 6603424
1-[(S)-(4-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-ol
CID 1432259
1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
CID 3208573
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1446198
4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
CID 43811951
1-[(S)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-1-ium-4-carboxamide
CID 7384068
1-[(R)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443802
4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
CID 1431025
1-[(S)-(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1433955
1-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperidin-1-ium-4-carboxamide
CID 6986026

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide (CID 1444441) is 1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide is CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is JNNVKHUJSOXLLC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N6O/c1-4-19(2,3)25-18(21-22-23-25)16(14-8-6-5-7-9-14)24-12-10-15(11-13-24)17(20)26/h5-9,15-16H,4,10-13H2,1-3H3,(H2,20,26)/t16-/m1/s1.
What are the key properties of 1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide?
1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 1444441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).